N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide

C26H35ClN4O3 — CID 162476810

IUPACN-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
SMILESCCC1(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)C=CC=C(Cl)C1OC
InChIInChI=1S/C26H35ClN4O3/c1-3-26(11-6-8-21(27)24(26)34-2)31-15-13-30(14-16-31)18-20(32)10-12-28-25(33)23-17-19-7-4-5-9-22(19)29-23/h4-9,11,17,20,24,29,32H,3,10,12-16,18H2,1-2H3,(H,28,33)
InChIKeyVSOPONKKTCVBSV-UHFFFAOYSA-N
MW487.04 g/mol
LogP3.12
Rot. Bonds9

About N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide

N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide (PubChem CID 162476810) has the molecular formula C26H35ClN4O3 and a molecular weight of 487.04 g/mol. Its IUPAC name is N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
PubChem CID162476810
Molecular FormulaC26H35ClN4O3
Molecular Weight487.04 g/mol
Exact Mass486.24
IUPAC NameN-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
SMILESCCC1(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)C=CC=C(Cl)C1OC
InChIInChI=1S/C26H35ClN4O3/c1-3-26(11-6-8-21(27)24(26)34-2)31-15-13-30(14-16-31)18-20(32)10-12-28-25(33)23-17-19-7-4-5-9-22(19)29-23/h4-9,11,17,20,24,29,32H,3,10,12-16,18H2,1-2H3,(H,28,33)
InChIKeyVSOPONKKTCVBSV-UHFFFAOYSA-N
XLogP3.12
TPSA80.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.04
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(3R)-4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
CID 130431329
N-[4-[4-(6-ethyl-1,3-benzodioxol-5-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
CID 146451664
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-iodo-1H-indole-2-carboxamide
CID 42626380
N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-fluorobutyl]-1H-indole-2-carboxamide
CID 130431295
N-[(3R)-4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxyhexyl]-1H-indole-2-carboxamide
CID 169211158
3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid
CID 114144333
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 167764803
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
CID 39990796
N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide
CID 165112161
ethyl 4-[4-(1H-indole-2-carbonylamino)butanoyl]piperazine-1-carboxylate
CID 42568817

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide (CID 162476810) is N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide is CCC1(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)C=CC=C(Cl)C1OC.
What is the InChIKey of N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide?
The InChIKey is VSOPONKKTCVBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4O3/c1-3-26(11-6-8-21(27)24(26)34-2)31-15-13-30(14-16-31)18-20(32)10-12-28-25(33)23-17-19-7-4-5-9-22(19)29-23/h4-9,11,17,20,24,29,32H,3,10,12-16,18H2,1-2H3,(H,28,33).
What are the key properties of N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide?
N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide has a molecular weight of 487.04 g/mol, XLogP of 3.12, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-chloro-1-ethyl-6-methoxycyclohexa-2,4-dien-1-yl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 162476810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).